5-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]-2-methoxy-N-methyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 5-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]-2-methoxy-N-methyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-5-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]-2-methoxy-N-methyl-benzenesulfonamide CAS Name: 5-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]-2-methoxy-N-methyl-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-5-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]-2-methoxy-N-methylbenzenesulfonamide Traditional Name: N-benzyl-5-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]-2-methoxy-N-methyl-benzenesulfonamide Formula: C27H29N5O3S2 MolecularWeight: 535.68086

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)N3CCN(C4=CC=CC=C4S3)CC5=CN=CN5)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)N3CCN(C4=CC=CC=C4S3)CC5=CN=CN5)OC

InChI

InChI=1S/C27H29N5O3S2/c1-30(18-21-8-4-3-5-9-21)37(33,34)27-16-23(12-13-25(27)35-2)32-15-14-31(19-22-17-28-20-29-22)24-10-6-7-11-26(24)36-32/h3-13,16-17,20H,14-15,18-19H2,1-2H3,(H,28,29)